SCHEMBL14345720

SCHEMBL14345720

CC(C)C[C@H](CCS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](C=O)CC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 1.00
CTSB P07858 4/20 1.00
LARS1 Q9P2J5 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.44
CASP3 P42574 1/20 0.43
ADAM17 P78536 1/20 0.39
MMP2 P08253 4/20 0.39
MMP9 P14780 4/20 0.39
MMP8 P22894 3/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP14 P50281 1/20 0.39
GAA P10253 1/20 0.39
CCR1 P32246 1/20 0.38
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3915375 0.78 CAPN1 (0.64) CAPN1CTSBLARS1ADAM17MMP2
SCHEMBL3914487 0.76 CAPN1 (0.62) CAPN1CTSBLARS1ALDH1A1ADAM17
SCHEMBL7472151 0.72 CAPN1 (0.58) CAPN1CTSBCASP3ADAM17CCR1
SCHEMBL3912360 0.71 CAPN1 (0.55) CAPN1CTSBLARS1ALDH1A1ADAM17
SCHEMBL8436836 0.69 CAPN1 (0.53) CAPN1CTSBLARS1ALDH1A1CASP3
SCHEMBL5954118 0.67 ALDH1A1 (0.55) CAPN1CTSBALDH1A1KDM4EHPGD
SCHEMBL5950934 0.67 ALDH1A1 (0.55) CAPN1CTSBALDH1A1KDM4EHPGD
SCHEMBL5950935 0.67 ALDH1A1 (0.55) CAPN1CTSBALDH1A1KDM4EHPGD
SCHEMBL2705523 0.67 ALDH1A1 (0.54) CAPN1CTSBLARS1ALDH1A1KDM4E
SCHEMBL5950821 0.66 ALDH1A1 (0.51) CAPN1CTSBALDH1A1KDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating MED INSTITUTE, INC. 2007-12-20 US disclosed
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating MED INSTITUTE, INC. 2007-12-20 US disclosed
WO-2007081530-A2 ENDOLUMINAL MEDICAL DEVICE FOR LOCAL DELIVERY OF CATHEPSIN INHIBITORS MED INSTITUTE, INC. (US) 2007-07-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating CTSS, CTSD, CTSV CAPN1 219/4885CTSB 6/4885LARS1 812/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.